2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide

C15H22N2O2 — CID 106135080

IUPAC2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H22N2O2/c18-14-8-4-5-12(9-14)10-17-15(19)11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14,16,18H,4-5,8-11H2,(H,17,19)
InChIKeyKIQRQUUXHZGNHR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds5

About 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide

2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106135080) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID106135080
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H22N2O2/c18-14-8-4-5-12(9-14)10-17-15(19)11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14,16,18H,4-5,8-11H2,(H,17,19)
InChIKeyKIQRQUUXHZGNHR-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 106135080) is 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide is O=C(CNc1ccccc1)NCC1CCCC(O)C1.
What is the InChIKey of 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is KIQRQUUXHZGNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14-8-4-5-12(9-14)10-17-15(19)11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14,16,18H,4-5,8-11H2,(H,17,19).
What are the key properties of 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106135080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).